N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

C16H17BrClNO2 — CID 115595290

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-14-6-4-12(16(8-14)21-2)10-19-9-11-3-5-13(17)7-15(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyBHAAUHCRFVCGIW-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.41
Rot. Bonds6

About N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (PubChem CID 115595290) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
PubChem CID115595290
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)cc2Cl)c(OC)c1
InChIInChI=1S/C16H17BrClNO2/c1-20-14-6-4-12(16(8-14)21-2)10-19-9-11-3-5-13(17)7-15(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyBHAAUHCRFVCGIW-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60743938
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (CID 115595290) is N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is COc1ccc(CNCc2ccc(Br)cc2Cl)c(OC)c1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is BHAAUHCRFVCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-14-6-4-12(16(8-14)21-2)10-19-9-11-3-5-13(17)7-15(11)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 370.67 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 115595290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).